SCHEMBL28634176

SCHEMBL28634176

CC(C)COC(C)(C)OC(=O)C1CC2C=CC1C2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.37
POLB P06746 3/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 1/20 0.36
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
ESR2 Q92731 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.32
CETP P11597 1/20 0.32
THRB P10828 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11908854 0.85 LMNA (0.41) ALDH1A1KDM4ELMNAHPGDPOLB
SCHEMBL14492538 0.80 ALDH1A1 (0.37) ALDH1A1KDM4ELMNAHPGDPOLB
SCHEMBL4247111 0.80 ALDH1A1 (0.39) ALDH1A1LMNAPOLBRAB9A
SCHEMBL5377889 0.80 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAHPGDPOLB
SCHEMBL948252 0.80 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAHPGDPOLB
SCHEMBL28630884 0.80 KDM4E (0.45) ALDH1A1KDM4ELMNAHPGDPOLB
SCHEMBL3881802 0.79 KDM4E (0.44) ALDH1A1KDM4ELMNAHPGDPOLB
SCHEMBL14534917 0.78 KDM4E (0.49) ALDH1A1KDM4ELMNAHPGDPOLB
SCHEMBL525537 0.78 KDM4E (0.49) ALDH1A1KDM4ELMNAHPGDPOLB
SCHEMBL30862606 0.78 KDM4E (0.49) ALDH1A1KDM4ELMNAHPGDPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115210219-A Oxime ester photoinitiators 巴斯夫欧洲公司 2022-10-18 CN disclosed
CN-113316744-A Oxime ester photoinitiators with specific aroyl chromophores 巴斯夫欧洲公司 2021-08-27 CN disclosed